Kersti Hermansson

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We assess the consequences of the interface model-embedded-cluster or periodic-slab model-on the ability of DFT calculations to describe charge transfer (CT) in a particularly challenging case where periodic-slab calculations indicate a delocalized charge-transfer state. Our example is Cu atom adsorption on ZnO(10(1)0), and in fact the periodic slab(More)
No part of this work may be reproduced by print, photocopy or any other means without the permission in writing from the publisher. Motto (page V) taken from the title of a collection of poems by Rutger Kopland. where he spent the first 20 days of his life. Thereafter he moved to Vaassen, where he grew up and attended primary school. In september 1984, he(More)
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